KEGG   COMPOUND: C18269
Entry
C18269                      Compound                               
Name
1-Pyrenylsulfate
Formula
C16H10O4S
Exact mass
298.03
Mol weight
298.3132
Structure
Reaction
R09181
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
2.8.2.-
Other DBs
PubChem: 103061451
ChEBI: 81620
LinkDB
KCF data

ATOM        21
            1   C8x C    23.5897  -20.0197
            2   C8x C    23.5897  -21.4198
            3   C8x C    24.8022  -22.1198
            4   C8y C    26.0147  -21.4198
            5   C8y C    26.0147  -20.0197
            6   C8y C    24.8022  -19.3197
            7   C8y C    27.2271  -19.3197
            8   C8y C    27.2271  -17.9198
            9   C8x C    26.0147  -17.2198
            10  C8x C    24.8022  -17.9198
            11  C8x C    27.2271  -22.1198
            12  C8x C    28.4394  -21.4198
            13  C8y C    28.4394  -20.0197
            14  C8x C    29.6519  -19.3197
            15  C8x C    29.6519  -17.9198
            16  C8y C    28.4394  -17.2198
            17  O2a O    28.4393  -15.8199
            18  S4a S    28.4393  -14.4199
            19  O1d O    27.0393  -14.4199
            20  O1d O    29.8393  -14.4199
            21  O1d O    28.4393  -13.0199
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    6  10 2
            12    4  11 1
            13   11  12 2
            14   12  13 1
            15    7  13 1
            16   13  14 2
            17   14  15 1
            18   15  16 2
            19    8  16 1
            20   16  17 1
            21   17  18 1
            22   18  19 2
            23   18  20 2
            24   18  21 1

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